methyl 4-[2-azanyl-5-[3-[1-(phenylmethyl)piperidin-4-yl]propanoyl]phenyl]butanoate

Systemtic Name: methyl 4-[2-azanyl-5-[3-[1-(phenylmethyl)piperidin-4-yl]propanoyl]phenyl]butanoate Openeye Name: methyl 4-[2-amino-5-[3-(1-benzyl-4-piperidyl)propanoyl]phenyl]butanoate CAS Name: 4-[2-amino-5-[1-oxo-3-[1-(phenylmethyl)-4-piperidinyl]propyl]phenyl]butanoic acid methyl ester IUPAC Name: methyl 4-[2-amino-5-[3-(1-benzylpiperidin-4-yl)propanoyl]phenyl]butanoate Traditional Name: 4-[2-amino-5-[3-(1-benzyl-4-piperidyl)propanoyl]phenyl]butyric acid methyl ester Formula: C26H34N2O3 MolecularWeight: 422.55976

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC1=C(C=CC(=C1)C(=O)CCC2CCN(CC2)CC3=CC=CC=C3)N

Isomeric SMILES

COC(=O)CCCC1=C(C=CC(=C1)C(=O)CCC2CCN(CC2)CC3=CC=CC=C3)N

InChI

InChI=1S/C26H34N2O3/c1-31-26(30)9-5-8-22-18-23(11-12-24(22)27)25(29)13-10-20-14-16-28(17-15-20)19-21-6-3-2-4-7-21/h2-4,6-7,11-12,18,20H,5,8-10,13-17,19,27H2,1H3